methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

C26H29N3O5 — CID 41263530

IUPACmethyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C26H29N3O5/c1-17-8-14-21(15-9-17)29-24(31)22(28(26(29)33)20-6-4-3-5-7-20)16-23(30)27-19-12-10-18(11-13-19)25(32)34-2/h8-15,20,22H,3-7,16H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyOCMKXGUHAHACGZ-JOCHJYFZSA-N
MW463.53 g/mol
LogP4.28
Rot. Bonds6

About methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (PubChem CID 41263530) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
PubChem CID41263530
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Namemethyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C26H29N3O5/c1-17-8-14-21(15-9-17)29-24(31)22(28(26(29)33)20-6-4-3-5-7-20)16-23(30)27-19-12-10-18(11-13-19)25(32)34-2/h8-15,20,22H,3-7,16H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyOCMKXGUHAHACGZ-JOCHJYFZSA-N
XLogP4.28
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-[(4R)-3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 40775283
2-[(4R)-3-cyclohexyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080609
2-[(4S)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284608
2-[(4R)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284607
2-[(4S)-3-cyclohexyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7373354
methyl 4-[[2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 7326054
2-(3-cyclopentyl-2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 17118476
ethyl 3-[[2-[(4S)-3-cyclopentyl-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774385
2-[(4R)-3-cyclopentyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 41263562
ethyl 3-[[2-[(4R)-3-cyclopentyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002058
2-[3-cyclopropyl-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 6622829
ethyl 4-[[2-[(4R)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698500

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (CID 41263530) is methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1.
What is the InChIKey of methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The InChIKey is OCMKXGUHAHACGZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-17-8-14-21(15-9-17)29-24(31)22(28(26(29)33)20-6-4-3-5-7-20)16-23(30)27-19-12-10-18(11-13-19)25(32)34-2/h8-15,20,22H,3-7,16H2,1-2H3,(H,27,30)/t22-/m1/s1.
What are the key properties of methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate has a molecular weight of 463.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4R)-3-cyclohexyl-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 41263530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).